Match Initial energy
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_min_autotools: [foss2022a-serial] >
Input 19-td_move_ions.01-gs.inp
Value | Reference | Precision | Status |
-2.964437820000000e+01 | -2.964437820000000e+01 | 1.480000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)